%chk=000136802.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000136802 0 1 S 5.492900 -3.0099999E-02 8.7899998E-02 N 1.389000 1.3500000E-02 0.1821000 C 0.4174000 1.1500000E-02 -0.9129000 C -0.9911000 3.8000001E-03 -0.4225000 C 2.747300 1.0700000E-02 -0.3366000 C 3.803600 1.6000001E-02 0.7600000 C -1.644000 -1.207900 -0.1955000 C -1.655600 1.208200 -0.1902000 C -2.961200 -1.215300 0.2633000 C -2.972700 1.200700 0.2688000 C -3.625500 -1.1100000E-02 0.4956000 H 0.5756000 -0.8659000 -1.553900 H 0.5694000 0.8875000 -1.557600 H 2.889300 -0.8813000 -0.9603000 H 2.895900 0.8883000 -0.9794000 H 1.250300 0.8415000 0.7614000 H 3.709400 0.9160000 1.377100 H 3.677900 -0.8518000 1.416400 H -1.137300 -2.153300 -0.3707000 H -1.157700 2.159100 -0.3610000 H -3.469400 -2.158700 0.4404000 H -3.490000 2.138200 0.4503000 H -4.651000 -1.6799999E-02 0.8531000 H 5.382300 -1.216600 -0.5275000 %chk=000136802-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000136802 0 1 S 5.578094 -0.474039 0.255771 N 1.426116 0.049357 0.124821 C 0.428836 0.486759 -0.878158 C -1.000445 0.275969 -0.389138 C 2.834582 0.122925 -0.315751 C 3.739036 -0.585201 0.706459 C -1.347080 -0.883310 0.351133 C -2.010763 1.222698 -0.691104 C -2.678586 -1.093102 0.773234 C -3.345465 1.012199 -0.274161 C -3.683868 -0.147648 0.460163 H 0.600973 -0.120322 -1.791660 H 0.555045 1.553907 -1.187332 H 2.910929 -0.394235 -1.293072 H 3.206483 1.163963 -0.474184 H 1.277713 0.517626 1.029572 H 3.680802 -0.100996 1.697204 H 3.452898 -1.642649 0.817939 H -0.558781 -1.604232 0.592982 H -1.752851 2.128930 -1.253958 H -2.933656 -1.993174 1.344656 H -4.116102 1.753208 -0.515627 H -4.716853 -0.310860 0.787720 H 5.497743 -1.251575 -0.889209